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Geometry for C3H6 (Cyclopropane) 1A1' D3H

1910171554
InChI=1S/C3H6/c1-2-3-1/h1-3H2 INChIKey=LVZWSLJZHVFIQJ-UHFFFAOYSA-N

M06-2X/6-31G*


Point group is D3h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.8667 0.0000   0.8222 0.2741 0.0000
C2 0.7506 -0.4333 0.0000   -0.6485 0.5750 0.0000
C3 -0.7506 -0.4333 0.0000   -0.1738 -0.8491 0.0000
H4 0.0000 1.4543 0.9115   1.3796 0.4599 0.9115
H5 1.2594 -0.7271 0.9115   -1.0881 0.9648 0.9115
H6 -1.2594 -0.7271 0.9115   -0.2915 -1.4247 0.9115
H7 0.0000 1.4543 -0.9115   1.3796 0.4599 -0.9115
H8 1.2594 -0.7271 -0.9115   -1.0881 0.9648 -0.9115
H9 -1.2594 -0.7271 -0.9115   -0.2915 -1.4247 -0.9115
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5011 1.5011 1.0844 2.2265 2.2265 1.0844 2.2265 2.2265
C2 1.5011 1.5011 2.2265 1.0844 2.2265 2.2265 1.0844 2.2265
C3 1.5011 1.5011 2.2265 2.2265 1.0844 2.2265 2.2265 1.0844
H4 1.0844 2.2265 2.2265 2.5188 2.5188 1.8230 3.1093 3.1093
H5 2.2265 1.0844 2.2265 2.5188 2.5188 3.1093 1.8230 3.1093
H6 2.2265 2.2265 1.0844 2.5188 2.5188 3.1093 3.1093 1.8230
H7 1.0844 2.2265 2.2265 1.8230 3.1093 3.1093 2.5188 2.5188
H8 2.2265 1.0844 2.2265 3.1093 1.8230 3.1093 2.5188 2.5188
H9 2.2265 2.2265 1.0844 3.1093 3.1093 1.8230 2.5188 2.5188
Maximum atom distance is 3.1093Å between atoms H5 and H9.
picture of Cyclopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 60.000 C1 C3 C2 60.000
C2 C1 C3 60.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 117.984 C1 C2 H8 117.984
C1 C3 H6 117.984 C1 C3 H9 117.984
C2 C1 H4 117.984 C2 C1 H7 117.984
C2 C3 H6 117.984 C2 C3 H9 117.984
C3 C1 H4 117.984 C3 C1 H7 117.984
C3 C2 H5 117.984 C3 C2 H8 117.984
H4 C1 H7 114.386 H5 C2 H8 114.386
H6 C3 H9 114.386

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.